98534-81-7
| Name | 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| CAS | 98534-81-7 |
| Molecular Formula | C11H7F3N2O2 |
| MDL Number | MFCD00173854 |
| Molecular Weight | 256.18 |
| MOL File | 98534-81-7.mol |
Chemical Properties
| Melting point | 134-138 °C (lit.) |
| Boiling point | 368.9±42.0 °C(Predicted) |
| density | 1.44±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | solid |
| pka | 2.80±0.36(Predicted) |
| Appearance | White to off-white Powder |
| InChI | 1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18) |
| InChIKey | SMPJBTIFNUUWGQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F |
| CAS DataBase Reference | 98534-81-7(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 2933199090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |